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184174-80-9

Basic Information
CAS No.: 184174-80-9
Name: 2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
Article Data: 7
Molecular Structure:
Molecular Structure of 184174-80-9 (2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER)
Formula: C9H11NO2S
Molecular Weight: 197.258
Synonyms: 2-Amino-3-(methoxycarbonyl)-4,5-trimethylenethiophene;
Density: 1.3±0.1 g/cm3
Melting Point: 177 °C
Boiling Point: 378.6±42.0 °C at 760 mmHg
Flash Point: 182.8±27.9 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 80.56000
LogP: 2.18680
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Specification

The 4H-Cyclopenta[b]thiophene-3-carboxylicacid, 2-amino-5,6-dihydro-, methyl ester, with the CAS registry number 184174-80-9, is also known as ZINC03684633. It belongs to the product categories of Aminoacid; Thiophene. This chemical's molecular formula is C9H11NO2S and molecular weight is 197.25414. Its IUPAC name is called methyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 4H-Cyclopenta[b]thiophene-3-carboxylicacid, 2-amino-5,6-dihydro-, methyl ester: (1)ACD/LogP: 2.80; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.631; (6)Molar Refractivity: 52.82 cm3; (7)Molar Volume: 148.1 cm3; (8)Surface Tension: 57.1 dyne/cm; (9)Density: 1.331 g/cm3; (10)Flash Point: 182.8 °C; (11)Enthalpy of Vaporization: 62.65 kJ/mol; (12)Boiling Point: 378.6 °C at 760 mmHg; (13)Vapour Pressure: 6.2E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(SC2=C1CCC2)N
(2)InChI: InChI=1S/C9H11NO2S/c1-12-9(11)7-5-3-2-4-6(5)13-8(7)10/h2-4,10H2,1H3
(3)InChIKey: XUKGZPUAFGAYHC-UHFFFAOYSA-N